CAS 5754-17-6 4,5-Dimethylpyridazine-3,6-diol (HCID 242280)

Substructure search Find similar structures

Basic information

CAS: 5754-17-6
Standard SMILES: Cc1c(C)c(=O)[nH][nH]c1=O
InChIKey: QLFHLLQTPRTMLL-UHFFFAOYSA-N
Molecular formula: C6H8N2O2
Average molar mass: 140.14 g/mol
Monoisotopic mass: 140.0585775

Names & identifiers

Preferred name: 4,5-Dimethylpyridazine-3,6-diol
IUPAC: 4,5-dimethyl-1,2-dihydropyridazine-3,6-dione
English name: 3,6-Dihydroxy-4,5-dimethylpyridazine
Molecular formula: C6H8N2O2
Molecular weight: 140.14

Names & synonyms

4,5-Dimethylpyridazine-3,6-diol5754-17-63,6-Dihydroxy-4,5-dimethylpyridazine4,5-dimethyl-1,2-dihydropyridazine-3,6-dionedimethylpyridazine-3,6-diol73428-45-2MFCD00067744NSC50756NSC-50756AC-5175PS-4166SY016817

Show more names

1,2-Dihydro-4,5-dimethyl-3,6-pyridazinedioneDimethylmaleic acid dimethyl cyclic hydrazide4,5-dimethyl-1,2-dihydropyridazine-3,6-quinone3,6-Dihydroxy-4,5-dimethylpyridazine ISO 9001：2015 REACH3,6-DIHYDROXY-4,5-DIMETHYLPYRIDAZINE (4,5-DIMETHYLMALEIC HYDRAZIDE)

CS-0149593EN300-69700Z11178970953,6-Pyridazinedione, 1,2-dihydro-4,5-dimethyl-AMY90543,6-Pyridazinedione, 14,5-dimethyl-1,2-dihydro-pyridazine-3,6-dioneA831483

Database identifiers

CAS: 5754-17-6
PubChem CID: 242280
DTXSID: DTXSID10973074
ChEMBL: CHEMBL5496935
Nikkaji: J265.553E

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 206

Physicochemical properties

Melting point: 347 · 347-351 °C
Density: 1.16 · 1.160±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 9.08 · 9.08±0.60(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C6H8N2O2/c1-3-4(2)6(10)8-7-5(3)9/h1-2H3,(H,7,9)(H,8,10)
InChIKey: QLFHLLQTPRTMLL-UHFFFAOYSA-N
SMILES: C1(=O)NNC(=O)C(C)=C1C
CAS DataBase Reference: 5754 · 5754-17-6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: T
Hazard Note: Toxic
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
hazard_note: Toxic
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4,5-Dimethylpyridazine-3,6-diol is a useful research chemical.

Uses3,6-Dihydroxy-4,5-dimethylpyridazine can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.